5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde

C10H8O2S2 — CID 10443619

IUPAC5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C10H8O2S2/c1-12-10-5-4-9(14-10)8-3-2-7(6-11)13-8/h2-6H,1H3
InChIKeyNHBDLXSDSOIMSC-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.30
Rot. Bonds3

About 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde

5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde (PubChem CID 10443619) has the molecular formula C10H8O2S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde
PubChem CID10443619
Molecular FormulaC10H8O2S2
Molecular Weight224.31 g/mol
Exact Mass224.00
IUPAC Name5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C10H8O2S2/c1-12-10-5-4-9(14-10)8-3-2-7(6-11)13-8/h2-6H,1H3
InChIKeyNHBDLXSDSOIMSC-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde (CID 10443619) is 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde is COc1ccc(-c2ccc(C=O)s2)s1.
What is the InChIKey of 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde?
The InChIKey is NHBDLXSDSOIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S2/c1-12-10-5-4-9(14-10)8-3-2-7(6-11)13-8/h2-6H,1H3.
What are the key properties of 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde?
5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde has a molecular weight of 224.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxythiophen-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 10443619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).